Basic information
- Standard SMILES
O=C1C=C/C(=C(/c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)O)C=C1O- InChIKey
HGPSVOAVAYJEIJ-XDHOZWIPSA-N- Molecular formula
- C19H14O7S
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- Pyrocatecholsulfonephthalein
- IUPAC
- 2-[(E)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Names & synonyms
PyrocatecholsulfonephthaleinCHEMBL210574SCHEMBL10285082SCHEMBL30767169HGPSVOAVAYJEIJ-XDHOZWIPSA-NAKOS015950685NSC-622476Pyrocatechol Violet, suitable for indicatorST50997616
Database identifiers
- PubChem CID
- 5387296
- ChEMBL
CHEMBL210574- Nikkaji
- J3.777.034E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 787
Related reactions
1 records
Compound notes
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